Vitas-M small molecule compound
(2S,12Z,14Z,16S,17S,18R,19S,20S,21S,22R,23S,24Z)-21-(acetyloxy)-8-(dimethylamino)-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-5-yl 2,2-dimethylp
Catalog ID
STL558187
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)C(C)(C)C)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C)N(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C44H58N2O13 MW 822.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H58N2O13/c1-20-16-15-17-21(2)41(53)45-31-32(46(12)13)36(51)28-29(35(31)50)38(58-42(54)43(8,9)10)25(6)39-30(28)40(52)44(11,59-39)56-19-18-27(55-14)22(3)37(57-26(7)47)24(5)34(49)23(4)33(20)48/h15-20,22-24,27,33-34,37,48-49H,1-14H3,(H,45,53)/b16-InChIKey
DKRBBFNVGJKSJY-TUFZJQCLSA-NSynonyms
((7~(S)9~(Z)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(Z)21~(Z))13acetyloxy26(dimethylamino)1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen2yl)22dimethylpro
(2S12Z14Z16S17S18R19S20S21S22R23S24Z)21(acetyloxy)8(dimethylamino)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan5yl22dimethylp
113)TRIENOIMINO)NAPHTHO(21B)FURAN5YL22DIMETHYLP
43915180
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)OC(=O)C(C)(C)C)NC(=O)C(=CC=C(C@@H)((C@@H)((C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)O)C)O)C)C)N(C)C
InChI=1SC44H58N2O13c12016151721(2)41(53)453132(46(12)13)36(51)2829(35(31)50)38(5842(54)43(89)10)25(6)3930(28)40(52)44(115939)56191827(5514)22(3)37(5726(7)47)24(5)34(49)23(4)33(20)48h15202224273334374849H114H3(H4553)b161519182117t2022+23+2427333437+44
ZINC000254616155
Check stock
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